SCHEMBL7322302

SCHEMBL7322302

CCN(CC)Cc1c(N)c(C)c(Cc2ccccc2)c(C(=O)OC)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.42
MMP13 P45452 4/20 0.42
MMP1 P03956 3/20 0.42
MMP12 P39900 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
PLA2G2A P14555 1/20 0.41
TP53 P04637 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MMP2 P08253 2/20 0.38
MMP8 P22894 2/20 0.38
MMP14 P50281 2/20 0.38
MMP16 P51512 2/20 0.38
MMP3 P08254 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7311811 0.93 MMP9 (0.42) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7319446 0.91 MMP9 (0.49) MMP9MMP13MMP1MMP12OPRM1
SCHEMBL7316532 0.89 ALDH1A1 (0.44) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7318307 0.88 ALDH1A1 (0.45) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7317410 0.87 ALDH1A1 (0.47) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7354908 0.84 ALDH1A1 (0.43) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7321207 0.84 ALDH1A1 (0.45) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7313804 0.84 ALDH1A1 (0.45) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7316252 0.84 HSP90AA1 (0.46) MMP9MMP13MMP1MMP12ALDH1A1
SCHEMBL7315550 0.82 ALDH1A1 (0.43) MMP9MMP13MMP1MMP12ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed